(E)-3-(5-bromanyl-2-hexoxy-3-methoxy-phenyl)prop-2-enoic acid

Systemtic Name: (E)-3-(5-bromanyl-2-hexoxy-3-methoxy-phenyl)prop-2-enoic acid Openeye Name: (E)-3-(5-bromo-2-hexoxy-3-methoxy-phenyl)prop-2-enoic acid CAS Name: (E)-3-(5-bromo-2-hexoxy-3-methoxyphenyl)-2-propenoic acid IUPAC Name: (E)-3-(5-bromo-2-hexoxy-3-methoxyphenyl)prop-2-enoic acid Traditional Name: (E)-3-(5-bromo-2-hexoxy-3-methoxy-phenyl)acrylic acid Formula: C16H21BrO4 MolecularWeight: 357.23954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1C=CC(=O)O)Br)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1/C=C/C(=O)O)Br)OC

InChI

InChI=1S/C16H21BrO4/c1-3-4-5-6-9-21-16-12(7-8-15(18)19)10-13(17)11-14(16)20-2/h7-8,10-11H,3-6,9H2,1-2H3,(H,18,19)/b8-7+